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Information card for entry 7160717
Preview
| Coordinates | 7160717.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H38 Cl2 N O2 P Ru |
|---|---|
| Calculated formula | C37 H38 Cl2 N O2 P Ru |
| Title of publication | RuII-phosphine catalysed direct synthesis of benzimidazoles via acceptorless dehydrogenative coupling of alcohols with aromatic diamines |
| Authors of publication | Pandey, Ankit; Balakrishna, Maravanji Shivaramaiah |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 21.478 ± 0.003 Å |
| b | 9.9044 ± 0.0015 Å |
| c | 18.416 ± 0.003 Å |
| α | 90° |
| β | 105.547 ± 0.005° |
| γ | 90° |
| Cell volume | 3774.2 ± 1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.056 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0798 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0722 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302000 (current) | 2025-09-04 | cif/ Adding structures of 7160717 via cif-deposit CGI script. |
7160717.cif |
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Users of the data should acknowledge the original authors of the
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